Information card for entry 7100406

Structure parameters

• Common name: (1S,5S,7(3')S/1R,5R,7(3')R)-(1-Acetyl-5-methyl-6,8- dioxabicyclo(3.2.1)octane)-7-spiro-3'-(indolin-2'-one)
• Formula: C16 H17 N O4
• Calculated formula: C16 H17 N O4
• SMILES: O=C1Nc2ccccc2[C@]21O[C@@]1(O[C@]2(CCC1)C(=O)C)C.O=C1Nc2ccccc2[C@@]21O[C@]1(O[C@@]2(CCC1)C(=O)C)C
• Title of publication: TiCl4 Catalyzed Tandem Construction of C-C and C-O Bonds: a Simple and One-Pot Atom-Economical Stereoselective Synthesis of Spiro-Oxindoles
• Authors of publication: Deevi Basavaiah; Jamjanam Srivardhana Rao; Anumolu Jaganmohan Rao; Raju J. Reddy
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.508 ± 0.017 Å
• b: 8.223 ± 0.007 Å
• c: 12.453 ± 0.008 Å
• α: 77.46 ± 0.06°
• β: 83.05 ± 0.1°
• γ: 74.89 ± 0.1°
• Cell volume: 722.8 ± 1.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No